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SMILES: Nc1n(nc(c1)c1ccc(cc1)I)C(C)C Canonical SMILES: Ic1ccc(cc1)c1nn(c(c1)N)C(C)C InChI: InChI=1S/C12H14IN3/c1-8(2)16-12(14)7-11(15-16)9-3-5-10(13)6-4-9/h3-8H,14H2,1-2H3 InChIKey: PMLMUNXQCUYBTL-UHFFFAOYSA-N
CBID:810773 http://www.chembase.cn/molecule-810773.html